N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine

C10H18N2S — CID 80585382

IUPACN-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC1CCC(NCC2CCCS2)=NC1
InChIInChI=1S/C10H18N2S/c1-2-6-11-10(5-1)12-8-9-4-3-7-13-9/h9H,1-8H2,(H,11,12)
InChIKeyWVDGQXUTPBIZBT-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.05
Rot. Bonds2

About N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 80585382) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID80585382
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC1CCC(NCC2CCCS2)=NC1
InChIInChI=1S/C10H18N2S/c1-2-6-11-10(5-1)12-8-9-4-3-7-13-9/h9H,1-8H2,(H,11,12)
InChIKeyWVDGQXUTPBIZBT-UHFFFAOYSA-N
XLogP2.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 80585382) is N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine is C1CCC(NCC2CCCS2)=NC1.
What is the InChIKey of N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is WVDGQXUTPBIZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-6-11-10(5-1)12-8-9-4-3-7-13-9/h9H,1-8H2,(H,11,12).
What are the key properties of N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 198.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 80585382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).